1-[2,2-difluoro-3-[4-(2-methylpropyl)cyclohexyl]propyl]-4-propan-2-ylpiperazine

C20H38F2N2 — CID 170569323

IUPAC1-[2,2-difluoro-3-[4-(2-methylpropyl)cyclohexyl]propyl]-4-propan-2-ylpiperazine
SMILESCC(C)CC1CCC(CC(F)(F)CN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C20H38F2N2/c1-16(2)13-18-5-7-19(8-6-18)14-20(21,22)15-23-9-11-24(12-10-23)17(3)4/h16-19H,5-15H2,1-4H3
InChIKeyAPQLVDCZTOCLJV-UHFFFAOYSA-N
MW344.53 g/mol
LogP4.89
Rot. Bonds7

About 1-[2,2-difluoro-3-[4-(2-methylpropyl)cyclohexyl]propyl]-4-propan-2-ylpiperazine

1-[2,2-difluoro-3-[4-(2-methylpropyl)cyclohexyl]propyl]-4-propan-2-ylpiperazine (PubChem CID 170569323) has the molecular formula C20H38F2N2 and a molecular weight of 344.53 g/mol. Its IUPAC name is 1-[2,2-difluoro-3-[4-(2-methylpropyl)cyclohexyl]propyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[2,2-difluoro-3-[4-(2-methylpropyl)cyclohexyl]propyl]-4-propan-2-ylpiperazine
PubChem CID170569323
Molecular FormulaC20H38F2N2
Molecular Weight344.53 g/mol
Exact Mass344.30
IUPAC Name1-[2,2-difluoro-3-[4-(2-methylpropyl)cyclohexyl]propyl]-4-propan-2-ylpiperazine
SMILESCC(C)CC1CCC(CC(F)(F)CN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C20H38F2N2/c1-16(2)13-18-5-7-19(8-6-18)14-20(21,22)15-23-9-11-24(12-10-23)17(3)4/h16-19H,5-15H2,1-4H3
InChIKeyAPQLVDCZTOCLJV-UHFFFAOYSA-N
XLogP4.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-difluoro-3-[4-(2-methylpropyl)cyclohexyl]propyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[2,2-difluoro-3-[4-(2-methylpropyl)cyclohexyl]propyl]-4-propan-2-ylpiperazine (CID 170569323) is 1-[2,2-difluoro-3-[4-(2-methylpropyl)cyclohexyl]propyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[2,2-difluoro-3-[4-(2-methylpropyl)cyclohexyl]propyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[2,2-difluoro-3-[4-(2-methylpropyl)cyclohexyl]propyl]-4-propan-2-ylpiperazine is CC(C)CC1CCC(CC(F)(F)CN2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 1-[2,2-difluoro-3-[4-(2-methylpropyl)cyclohexyl]propyl]-4-propan-2-ylpiperazine?
The InChIKey is APQLVDCZTOCLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38F2N2/c1-16(2)13-18-5-7-19(8-6-18)14-20(21,22)15-23-9-11-24(12-10-23)17(3)4/h16-19H,5-15H2,1-4H3.
What are the key properties of 1-[2,2-difluoro-3-[4-(2-methylpropyl)cyclohexyl]propyl]-4-propan-2-ylpiperazine?
1-[2,2-difluoro-3-[4-(2-methylpropyl)cyclohexyl]propyl]-4-propan-2-ylpiperazine has a molecular weight of 344.53 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-difluoro-3-[4-(2-methylpropyl)cyclohexyl]propyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 170569323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).